2025-03-29_00000119
|
ligand
|
7I5J
Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0036476-001 (A71EV2A-x4840);
X-ray diffraction 1.52Å
Protein #1
144 residues (97% resolved)
Raw Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Canonical Sequence ...
SGAIYVGNYRVVNRHLATHNDWANLVWEDSSRDLLVSSTTAQGCDTIARCDCQTGVYYCSSRRKHYPVSFSKPSLIFVEASEYYPARYQSHLMLAVGHSEPGDCGGILRCQHGVVGIVSTGGNGLVGFADVRDLLWLDEEAMEQ
Non polymer #2
A1B3Z
InChI=1S/C15H19N3O3/c16-14(20)11-5-3-7-18(9-11)13(19)8-10-4-1-2-6-12(10)15(17)21/h1-2,4,6,11H,3,5,7-9H2,(H2,16,20)(H2,17,21)/t11-/m0/s1
InChI=1S/C15H19N3O3/c16-14(20)11-5-3-7-18(9-11)13(19)8-10-4-1-2-6-12(10)15(17)21/h1-2,4,6,11H,3,5,7-9H2,(H2,16,20)(H2,17,21)/t11-/m0/s1
SMILES: c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)C(=O)N
c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)C(=O)N
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%